ethane;2-ethyl-1H-imidazole

C9H20N2 — CID 144736598

IUPACethane;2-ethyl-1H-imidazole
SMILESCC.CC.CCc1ncc[nH]1
InChIInChI=1S/C5H8N2.2C2H6/c1-2-5-6-3-4-7-5;2*1-2/h3-4H,2H2,1H3,(H,6,7);2*1-2H3
InChIKeyBYFCOUIAQWEMCG-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.02
Rot. Bonds1

About ethane;2-ethyl-1H-imidazole

ethane;2-ethyl-1H-imidazole (PubChem CID 144736598) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;2-ethyl-1H-imidazole.

Molecular Properties

Compound Nameethane;2-ethyl-1H-imidazole
PubChem CID144736598
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;2-ethyl-1H-imidazole
SMILESCC.CC.CCc1ncc[nH]1
InChIInChI=1S/C5H8N2.2C2H6/c1-2-5-6-3-4-7-5;2*1-2/h3-4H,2H2,1H3,(H,6,7);2*1-2H3
InChIKeyBYFCOUIAQWEMCG-UHFFFAOYSA-N
XLogP3.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
2-ethyl-1H-imidazole;methanol
CID 176573862
2-ethyl-1H-imidazole;hexafluoroantimony(1-)
CID 175050777
acetic acid;cobalt;bis(2-ethyl-1H-imidazole)
CID 5257802
2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole
CID 158806320
2-ethyl-1H-imidazole;methyl(diphenyl)borane
CID 15753724
N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457
2-butyl-1H-imidazole;hydrochloride
CID 141134528
N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine
CID 140833512
2-propyl-1H-imidazole tetrafluoroborate
CID 174826414
2-dodecyl-1H-imidazole
CID 22019838

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1H-imidazole?
The IUPAC name of ethane;2-ethyl-1H-imidazole (CID 144736598) is ethane;2-ethyl-1H-imidazole.
What is the SMILES notation for ethane;2-ethyl-1H-imidazole?
The canonical SMILES for ethane;2-ethyl-1H-imidazole is CC.CC.CCc1ncc[nH]1.
What is the InChIKey of ethane;2-ethyl-1H-imidazole?
The InChIKey is BYFCOUIAQWEMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.2C2H6/c1-2-5-6-3-4-7-5;2*1-2/h3-4H,2H2,1H3,(H,6,7);2*1-2H3.
What are the key properties of ethane;2-ethyl-1H-imidazole?
ethane;2-ethyl-1H-imidazole has a molecular weight of 156.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1H-imidazole is sourced from PubChem (CID 144736598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).